1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine

C13H23F4N — CID 177072830

IUPAC1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine
SMILESCC(C)(C)C1C(F)(F)CN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C13H23F4N/c1-10(2,3)9-12(14,15)7-18(11(4,5)6)8-13(9,16)17/h9H,7-8H2,1-6H3
InChIKeyDXFAZVJLUDHWNX-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.03
Rot. Bonds

About 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine

1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine (PubChem CID 177072830) has the molecular formula C13H23F4N and a molecular weight of 269.33 g/mol. Its IUPAC name is 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine
PubChem CID177072830
Molecular FormulaC13H23F4N
Molecular Weight269.33 g/mol
Exact Mass269.18
IUPAC Name1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine
SMILESCC(C)(C)C1C(F)(F)CN(C(C)(C)C)CC1(F)F
InChIInChI=1S/C13H23F4N/c1-10(2,3)9-12(14,15)7-18(11(4,5)6)8-13(9,16)17/h9H,7-8H2,1-6H3
InChIKeyDXFAZVJLUDHWNX-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 118441648
1-tert-butyl-3,3-difluoro-4-methoxypiperidine
CID 146520406
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
CID 172511742
1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-methylazetidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 159358501
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
1,4-ditert-butyl-3,3-dimethylpyrrolidine
CID 170668415
3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid
CID 162475426
1-tert-butyl-3,3-difluoro-4-(2-pyrrolidin-1-ylpropyl)azepane
CID 135275105
2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
CID 161082636

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine?
The IUPAC name of 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine (CID 177072830) is 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine.
What is the SMILES notation for 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine?
The canonical SMILES for 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine is CC(C)(C)C1C(F)(F)CN(C(C)(C)C)CC1(F)F.
What is the InChIKey of 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine?
The InChIKey is DXFAZVJLUDHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4N/c1-10(2,3)9-12(14,15)7-18(11(4,5)6)8-13(9,16)17/h9H,7-8H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine?
1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine has a molecular weight of 269.33 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine is sourced from PubChem (CID 177072830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).